#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psu h HIS 3 N 0.00 0.31 -0.57 7.33 -0.00 -2.05 0.37 115.15 120.54 1psu h HIS 3 Ca 0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.26 1psu h HIS 3 Cb 0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 1psu h HIS 3 CO 0.00 0.68 0.30 0.87 -0.00 0.00 0.00 177.93 179.78 1psu h LYS 4 N -0.14 0.80 -0.85 2.45 1.57 -2.04 0.03 116.57 118.38 1psu h LYS 4 Ca 0.02 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1psu h LYS 4 Cb 0.63 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1psu h LYS 4 CO 0.03 0.62 0.41 0.00 -0.57 0.00 0.00 179.45 179.94 1psu h ALA 5 N 1.13 1.10 -0.54 3.86 0.00 -1.99 -1.15 119.26 121.67 1psu h ALA 5 Ca 0.20 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1psu h ALA 5 Cb 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1psu h ALA 5 CO -0.03 0.66 0.11 2.35 0.00 0.00 0.00 179.25 182.35 1psu h TRP 6 N 1.21 0.88 -0.31 0.00 7.01 -0.25 -1.89 115.95 122.60 1psu h TRP 6 Ca 0.29 -0.09 -0.13 0.00 2.11 0.00 0.00 58.89 61.08 1psu h TRP 6 Cb 0.12 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1psu h TRP 6 CO 0.02 0.75 -0.32 1.96 -2.79 0.00 0.00 178.44 178.05 1psu h GLN 7 N 0.81 0.67 -0.19 2.65 4.20 -0.37 -0.95 115.11 121.94 1psu h GLN 7 Ca 0.17 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1psu h GLN 7 Cb 0.32 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1psu h GLN 7 CO 0.00 0.90 0.00 -0.91 -0.67 0.00 0.00 178.83 178.16 1psu h ASN 8 N 0.57 0.32 -0.75 1.46 2.35 -0.95 0.14 115.58 118.71 1psu h ASN 8 Ca 0.06 -0.30 0.03 0.00 -0.55 0.00 0.00 56.30 55.54 1psu h ASN 8 Cb 0.83 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 39.07 1psu h ASN 8 CO 0.07 0.55 0.48 0.00 -1.65 0.00 0.00 177.43 176.87 1psu h ALA 9 N 0.79 0.99 -0.61 -0.83 0.00 -1.25 -2.34 119.26 116.00 1psu h ALA 9 Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1psu h ALA 9 Cb 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1psu h ALA 9 CO 0.01 0.28 0.02 1.25 0.00 0.00 0.00 179.25 180.81 1psu h HIS 10 N 0.93 1.15 0.00 0.00 -0.00 -0.97 -0.61 115.15 115.66 1psu h HIS 10 Ca 0.30 -0.19 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 1psu h HIS 10 Cb 0.01 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.12 1psu h HIS 10 CO -0.03 1.01 0.00 0.00 -0.00 0.00 0.00 177.93 178.90 1psu n ALA 11 N -2.47 1.35 0.00 5.26 0.00 0.02 -1.75 120.51 122.92 1psu n ALA 11 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1psu n ALA 11 Cb 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1psu n ALA 11 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1psu n TYR 13 N 0.60 0.00 0.11 0.00 9.36 -0.24 -1.83 117.16 125.16 1psu n TYR 13 Ca 0.00 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.26 1psu n TYR 13 Cb 0.05 0.00 0.46 0.00 -0.63 0.00 0.00 39.34 39.21 1psu n TYR 13 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1psu h GLU 14 N 0.00 0.28 -0.26 2.98 5.08 -1.62 -1.19 114.58 119.85 1psu h GLU 14 Ca 0.00 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 1psu h GLU 14 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1psu h GLU 14 CO 0.00 0.29 -0.60 -0.97 -1.00 0.00 0.00 179.01 176.72 1psu h ASN 15 N 0.28 0.98 0.32 1.42 -0.73 -1.62 -2.51 115.58 113.71 1psu h ASN 15 Ca 0.07 -0.56 -0.09 0.00 1.87 0.00 0.00 56.30 57.59 1psu h ASN 15 Cb 0.16 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 1psu h ASN 15 CO 0.00 1.36 -0.39 0.44 -0.37 0.00 0.00 177.43 178.47 1psu h ASP 16 N 0.64 0.11 -0.32 1.15 3.32 -1.66 -1.88 116.42 117.77 1psu h ASP 16 Ca -0.00 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 1psu h ASP 16 Cb 1.22 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1psu h ASP 16 CO 0.13 0.49 -0.25 0.00 -1.72 0.00 0.00 179.24 177.90 1psu h ALA 17 N 1.52 0.47 -0.48 3.45 0.00 -1.13 -1.43 119.26 121.66 1psu h ALA 17 Ca 0.01 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1psu h ALA 17 Cb 0.73 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1psu h ALA 17 CO 0.05 0.45 -0.11 0.00 0.00 0.00 0.00 179.25 179.65 1psu h ALA 19 N 1.08 0.33 -0.54 0.00 0.00 -1.25 -1.77 119.26 117.11 1psu h ALA 19 Ca 0.13 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1psu h ALA 19 Cb 0.62 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1psu h ALA 19 CO 0.04 -0.14 0.33 -0.22 0.00 0.00 0.00 179.25 179.26 1psu h LYS 20 N 0.30 0.65 0.00 0.00 3.64 -1.14 0.36 116.57 120.38 1psu h LYS 20 Ca 0.09 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1psu h LYS 20 Cb 0.07 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1psu h LYS 20 CO -0.01 0.43 -0.11 0.00 -2.27 0.00 0.00 179.45 177.49 1psu h ALA 21 N 1.23 1.28 -0.02 5.00 0.00 -1.11 -2.20 119.26 123.43 1psu h ALA 21 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1psu h ALA 21 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1psu h ALA 21 CO -0.08 0.14 -0.27 1.28 0.00 0.00 0.00 179.25 180.32 1psu n LEU 22 N -3.63 2.42 -1.64 0.00 4.77 -0.69 -4.97 117.00 113.27 1psu n LEU 22 Ca -0.02 -0.86 -0.11 0.00 -0.03 0.00 0.00 56.01 54.99 1psu n LEU 22 Cb 0.23 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1psu n LEU 22 CO 0.30 0.43 0.03 0.61 -1.33 0.00 0.00 177.39 177.43 1psu n GLY 23 N 1.37 0.16 3.81 -0.72 0.00 0.21 -4.91 105.19 105.13 1psu n GLY 23 Ca 0.11 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1psu n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1psu s ILE 24 N -2.92 5.40 -0.04 -0.61 1.01 0.10 -4.45 121.20 119.69 1psu s ILE 24 Ca 0.18 0.32 0.06 0.00 0.00 0.00 0.00 60.65 61.20 1psu s ILE 24 Cb -0.08 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1psu s ILE 24 CO 0.22 0.54 -0.22 -1.81 0.00 0.00 0.00 174.94 173.67 1psu s ASP 25 N -0.45 2.63 -0.11 3.58 1.01 -0.16 -4.47 116.67 118.69 1psu s ASP 25 Ca 0.14 -0.43 -0.30 0.00 0.71 0.00 0.00 52.55 52.68 1psu s ASP 25 Cb -0.12 -0.60 -0.01 0.00 1.01 0.00 0.00 42.92 43.20 1psu s ASP 25 CO 0.03 0.22 1.05 -0.63 0.21 0.00 0.00 175.17 176.06 1psu s ILE 26 N -0.20 4.66 -0.24 0.77 1.01 -1.26 0.16 121.20 126.09 1psu s ILE 26 Ca -0.00 1.94 0.06 0.00 0.00 0.00 0.00 60.65 62.65 1psu s ILE 26 Cb -0.11 -4.25 -0.19 0.00 0.01 0.00 0.00 42.46 37.92 1psu s ILE 26 CO 0.02 -0.02 -0.15 -0.38 0.00 0.00 0.00 174.94 174.41 1psu n ILE 27 N 4.66 1.44 -3.91 2.92 5.41 0.71 -4.95 119.36 125.65 1psu n ILE 27 Ca 0.10 -0.64 -0.08 0.00 1.00 0.00 0.00 62.75 63.13 1psu n ILE 27 Cb 0.48 -1.15 -0.03 0.00 -0.71 0.00 0.00 39.64 38.23 1psu n ILE 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1psu s SER 28 N -6.21 -0.14 0.00 4.38 0.15 -0.96 -5.00 113.70 105.92 1psu s SER 28 Ca -0.28 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 55.58 1psu s SER 28 Cb 0.08 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 1psu s SER 28 CO 0.65 -1.32 0.00 -0.67 1.20 0.00 0.00 173.24 173.11 1psu n ASP 30 N -0.56 0.00 -4.54 5.45 -0.08 -0.49 0.39 116.55 116.72 1psu n ASP 30 Ca -0.03 0.00 -0.46 0.00 -1.51 0.00 0.00 54.79 52.78 1psu n ASP 30 Cb 0.60 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.01 1psu n ASP 30 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1psu n GLU 31 N 0.00 1.60 -0.85 -0.67 2.13 -1.26 -1.95 120.64 119.64 1psu n GLU 31 Ca 0.00 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.26 1psu n GLU 31 Cb 0.00 -2.89 0.00 0.00 0.27 0.00 0.00 31.44 28.82 1psu n GLU 31 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1psu n GLY 32 N 6.06 0.74 3.36 8.31 0.00 -1.26 -5.00 105.19 117.40 1psu n GLY 32 Ca 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.22 1psu n GLY 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1psu s PHE 33 N -2.83 -0.36 -0.07 1.61 -0.12 -0.82 -1.23 117.98 114.16 1psu s PHE 33 Ca 0.00 0.51 -0.09 0.00 -0.05 0.00 0.00 56.93 57.30 1psu s PHE 33 Cb 0.00 0.25 0.02 0.00 -0.63 0.00 0.00 43.02 42.66 1psu s PHE 33 CO 0.00 -0.53 0.23 0.00 -0.05 0.00 0.00 175.22 174.87 1psu s ALA 34 N -1.77 -0.57 -0.19 1.99 0.00 -0.80 -1.40 121.76 119.02 1psu s ALA 34 Ca -0.09 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.43 1psu s ALA 34 Cb -0.02 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.83 1psu s ALA 34 CO 0.03 -0.13 -0.15 0.08 0.00 0.00 0.00 175.76 175.58 1psu s VAL 35 N -0.15 1.90 0.27 0.00 1.01 0.16 -1.32 120.40 122.27 1psu s VAL 35 Ca -0.03 -1.02 0.10 0.00 0.00 0.00 0.00 61.98 61.04 1psu s VAL 35 Cb -0.03 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 1psu s VAL 35 CO 0.01 0.35 -0.16 0.68 0.00 0.00 0.00 175.10 175.98 1psu s VAL 36 N 1.32 2.15 0.33 2.92 -7.23 -0.54 -0.21 120.40 119.14 1psu s VAL 36 Ca 0.01 -2.30 0.03 0.00 -1.81 0.00 0.00 61.98 57.92 1psu s VAL 36 Cb -0.15 -2.28 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 1psu s VAL 36 CO -0.10 -0.42 0.11 1.07 -0.31 0.00 0.00 175.10 175.45 1psu n THR 37 N -0.57 0.00 -3.88 5.32 5.66 0.12 -0.48 114.28 120.46 1psu n THR 37 Ca -0.06 -1.91 -0.18 0.00 -3.05 0.00 0.00 64.05 58.85 1psu n THR 37 Cb 0.61 0.68 -0.17 0.00 -1.55 0.00 0.00 70.33 69.90 1psu n THR 37 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1psu s THR 39 N -2.77 0.18 0.10 1.09 2.01 -1.26 -0.99 115.64 114.00 1psu s THR 39 Ca 0.16 0.13 -0.31 0.00 0.31 0.00 0.00 61.69 61.99 1psu s THR 39 Cb 0.01 -0.30 -0.07 0.00 0.01 0.00 0.00 72.50 72.14 1psu s THR 39 CO 0.11 0.17 1.30 -0.69 -0.69 0.00 0.00 174.62 174.83 1psu s VAL 40 N 1.32 3.58 0.29 3.82 1.01 0.04 -4.94 120.40 125.51 1psu s VAL 40 Ca -0.06 1.15 0.09 0.00 0.00 0.00 0.00 61.98 63.17 1psu s VAL 40 Cb -0.13 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1psu s VAL 40 CO -0.02 0.10 0.02 0.28 0.00 0.00 0.00 175.10 175.48 1psu s THR 41 N 0.97 3.30 0.52 3.92 -1.32 -1.26 -0.68 115.64 121.09 1psu s THR 41 Ca 0.61 -1.88 0.21 0.00 -1.21 0.00 0.00 61.69 59.42 1psu s THR 41 Cb -0.34 -2.86 0.34 0.00 -1.51 0.00 0.00 72.50 68.13 1psu s THR 41 CO 0.31 -0.33 2.05 0.00 -2.21 0.00 0.00 174.62 174.44 1psu h ALA 42 N 1.82 2.27 0.00 11.08 0.00 -1.96 -3.32 119.26 129.16 1psu h ALA 42 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1psu h ALA 42 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1psu h ALA 42 CO 0.61 -0.37 0.00 1.04 0.00 0.00 0.00 179.25 180.54 1psu n GLN 43 N -4.45 0.11 -1.38 0.00 3.00 -1.26 -4.90 117.38 108.51 1psu n GLN 43 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1psu n GLN 43 Cb 0.39 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 29.19 1psu n GLN 43 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1psu n LEU 45 N 1.42 -2.06 0.00 1.08 4.77 -1.25 -5.10 117.00 115.86 1psu n LEU 45 Ca 0.00 2.66 0.00 0.00 -0.03 0.00 0.00 56.01 58.64 1psu n LEU 45 Cb 0.06 -2.48 0.00 0.00 -2.33 0.00 0.00 43.42 38.66 1psu n LEU 45 CO 0.00 0.33 0.00 -0.46 -1.33 0.00 0.00 177.39 175.93 1psu n ASN 46 N -0.98 0.00 0.25 -1.43 0.23 0.60 -4.83 115.26 109.09 1psu n ASN 46 Ca 0.00 -0.46 0.08 0.00 -0.53 0.00 0.00 54.58 53.67 1psu n ASN 46 Cb 0.02 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.34 1psu n ASN 46 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1psu h GLY 47 N 0.00 0.00 -2.05 4.83 0.00 -2.01 -1.37 103.07 102.47 1psu h GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1psu h GLY 47 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 1psu n HIS 48 N -4.39 0.89 -2.56 5.60 8.25 -1.26 -4.88 115.22 116.87 1psu n HIS 48 Ca -0.03 -0.32 -0.20 0.00 -0.26 0.00 0.00 57.72 56.91 1psu n HIS 48 Cb 0.14 -0.25 -0.00 0.00 1.12 0.00 0.00 29.99 31.01 1psu n HIS 48 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1psu n GLN 49 N 0.33 -2.45 -4.31 -0.41 6.02 -0.52 -4.98 117.38 111.06 1psu n GLN 49 Ca 0.13 0.90 -0.19 0.00 -0.01 0.00 0.00 57.00 57.83 1psu n GLN 49 Cb 0.63 -5.60 -0.11 0.00 1.02 0.00 0.00 30.24 26.19 1psu n GLN 49 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1psu s SER 50 N -2.19 2.37 0.12 1.08 1.04 -1.26 -4.40 113.70 110.45 1psu s SER 50 Ca 0.07 -0.93 -0.33 0.00 0.48 0.00 0.00 55.95 55.24 1psu s SER 50 Cb -0.03 -0.11 -0.12 0.00 0.10 0.00 0.00 66.02 65.86 1psu s SER 50 CO 0.09 -0.15 1.75 0.00 0.98 0.00 0.00 173.24 175.90 1psu s HIS 52 N 2.06 3.19 0.50 0.00 -3.43 -1.26 -4.68 115.29 111.67 1psu s HIS 52 Ca 0.81 1.62 0.37 0.00 -0.80 0.00 0.00 55.06 57.06 1psu s HIS 52 Cb -0.57 -3.19 1.53 0.00 -1.43 0.00 0.00 32.58 28.93 1psu s HIS 52 CO 0.38 -0.81 1.67 0.78 -2.00 0.00 0.00 174.74 174.76 1psu h GLY 53 N 2.45 0.52 1.26 -1.38 0.00 -2.00 0.30 103.07 104.21 1psu h GLY 53 Ca -0.48 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1psu h GLY 53 CO 0.62 -0.14 0.18 -1.33 0.00 0.00 0.00 176.54 175.87 1psu h GLY 54 N 0.06 1.00 0.81 4.60 0.00 -1.99 0.44 103.07 108.00 1psu h GLY 54 Ca 0.77 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 47.45 1psu h GLY 54 CO -0.16 0.53 -0.20 1.46 0.00 0.00 0.00 176.54 178.17 1psu h GLN 55 N 0.90 0.47 -0.91 4.80 1.08 -1.30 -1.80 115.11 118.35 1psu h GLN 55 Ca 0.20 -0.25 0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1psu h GLN 55 Cb 0.27 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 1psu h GLN 55 CO -0.01 0.83 0.59 -0.07 -0.95 0.00 0.00 178.83 179.22 1psu h LEU 56 N 0.13 0.98 -0.33 1.46 3.38 -1.36 -0.36 115.31 119.20 1psu h LEU 56 Ca 0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1psu h LEU 56 Cb 0.75 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1psu h LEU 56 CO 0.05 0.67 0.11 0.15 0.09 0.00 0.00 178.44 179.50 1psu h PHE 57 N 1.14 0.53 -0.98 1.13 3.57 -0.82 -1.70 116.94 119.80 1psu h PHE 57 Ca 0.36 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.82 1psu h PHE 57 Cb 0.01 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 1psu h PHE 57 CO -0.01 0.53 0.65 0.77 -2.23 0.00 0.00 178.31 178.01 1psu h SER 58 N 0.38 1.12 0.12 0.41 0.02 -0.63 0.22 113.55 115.19 1psu h SER 58 Ca 0.11 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1psu h SER 58 Cb 0.24 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1psu h SER 58 CO -0.00 0.81 -0.06 0.25 -1.14 0.00 0.00 176.83 176.69 1psu h LEU 59 N 1.32 -0.13 -0.72 5.07 5.85 -0.89 -0.99 115.31 124.82 1psu h LEU 59 Ca 0.36 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.02 1psu h LEU 59 Cb -0.13 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1psu h LEU 59 CO -0.08 0.00 0.46 0.00 -0.34 0.00 0.00 178.44 178.48 1psu h ALA 60 N 0.61 0.93 -0.65 1.25 0.00 -0.84 -1.69 119.26 118.88 1psu h ALA 60 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1psu h ALA 60 Cb 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1psu h ALA 60 CO 0.03 0.27 0.42 0.22 0.00 0.00 0.00 179.25 180.19 1psu h ASP 61 N 0.92 0.75 -0.72 0.00 1.82 -0.43 -1.03 116.42 117.72 1psu h ASP 61 Ca 0.28 -0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.84 1psu h ASP 61 Cb -0.03 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 39.76 1psu h ASP 61 CO -0.09 0.55 0.24 0.74 -1.61 0.00 0.00 179.24 179.07 1psu h THR 62 N 0.88 1.26 -0.20 2.25 2.02 -0.70 -0.36 112.91 118.05 1psu h THR 62 Ca 0.24 -0.88 -0.12 0.00 0.77 0.00 0.00 66.41 66.42 1psu h THR 62 Cb -0.09 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1psu h THR 62 CO -0.05 0.35 -0.39 0.00 0.37 0.00 0.00 175.52 175.80 1psu h ALA 63 N 1.18 0.95 -0.38 6.16 0.00 -0.87 -2.01 119.26 124.29 1psu h ALA 63 Ca 0.24 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1psu h ALA 63 Cb 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1psu h ALA 63 CO -0.01 0.62 -0.01 0.35 0.00 0.00 0.00 179.25 180.20 1psu h PHE 64 N 0.38 0.74 -0.80 0.00 3.57 -0.89 -1.34 116.94 118.60 1psu h PHE 64 Ca 0.04 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 1psu h PHE 64 Cb 0.85 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 1psu h PHE 64 CO 0.03 0.77 0.35 0.00 -2.23 0.00 0.00 178.31 177.24 1psu h ALA 65 N 0.87 1.04 -0.63 2.41 0.00 -0.90 -1.06 119.26 120.99 1psu h ALA 65 Ca 0.11 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1psu h ALA 65 Cb 0.49 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1psu h ALA 65 CO 0.02 0.64 0.06 1.88 0.00 0.00 0.00 179.25 181.85 1psu h TYR 66 N 1.16 1.15 -0.34 0.00 0.99 -1.22 -0.78 116.97 117.93 1psu h TYR 66 Ca 0.27 -0.17 -0.07 0.00 2.00 0.00 0.00 58.73 60.76 1psu h TYR 66 Cb 0.17 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 37.57 1psu h TYR 66 CO 0.02 0.98 -0.08 0.00 -0.00 0.00 0.00 178.16 179.08 1psu h ALA 67 N 1.06 1.23 -0.07 3.88 0.00 -0.75 -0.54 119.26 124.07 1psu h ALA 67 Ca 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1psu h ALA 67 Cb 0.48 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1psu h ALA 67 CO 0.02 0.51 -0.03 0.00 0.00 0.00 0.00 179.25 179.74 1psu h ASN 69 N -0.25 0.00 0.04 0.00 2.35 -0.93 -1.36 115.58 115.43 1psu h ASN 69 Ca 0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1psu h ASN 69 Cb 0.48 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1psu h ASN 69 CO 0.01 0.08 -0.00 0.77 -1.65 0.00 0.00 177.43 176.64 1psu h SER 70 N 0.00 0.00 0.00 5.81 4.64 -1.09 -1.94 113.55 120.97 1psu h SER 70 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1psu h SER 70 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1psu h SER 70 CO 0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.90 1psu n GLN 71 N -3.24 1.23 -2.95 4.77 10.64 -0.83 -4.73 117.38 122.28 1psu n GLN 71 Ca -0.03 -2.23 -0.22 0.00 -1.83 0.00 0.00 57.00 52.68 1psu n GLN 71 Cb 0.08 -1.30 0.03 0.00 -0.86 0.00 0.00 30.24 28.19 1psu n GLN 71 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1psu n GLY 72 N -1.14 -0.52 2.74 2.61 0.00 -0.73 -4.93 105.19 103.23 1psu n GLY 72 Ca 0.12 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1psu n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1psu n LEU 73 N -3.92 4.71 -4.61 0.99 4.77 -0.57 -4.99 117.00 113.38 1psu n LEU 73 Ca -0.13 -5.55 -0.52 0.00 -0.03 0.00 0.00 56.01 49.78 1psu n LEU 73 Cb 0.63 -0.71 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1psu n LEU 73 CO 0.45 2.18 0.99 0.00 -1.33 0.00 0.00 177.39 179.68 1psu n ALA 74 N 0.23 -0.70 -2.75 -1.18 0.00 -1.26 -4.57 120.51 110.28 1psu n ALA 74 Ca 0.32 0.49 -0.09 0.00 0.00 0.00 0.00 53.44 54.16 1psu n ALA 74 Cb 0.38 -2.12 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 1psu n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1psu s ALA 75 N 0.98 -0.51 0.11 0.00 0.00 -1.26 -4.76 121.76 116.32 1psu s ALA 75 Ca 0.86 -0.40 0.10 0.00 0.00 0.00 0.00 51.96 52.53 1psu s ALA 75 Cb -0.95 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1psu s ALA 75 CO 0.49 -0.57 -0.25 0.08 0.00 0.00 0.00 175.76 175.50 1psu s VAL 76 N -3.84 2.33 0.10 0.00 1.01 -1.04 -4.89 120.40 114.06 1psu s VAL 76 Ca 0.05 -1.64 -0.30 0.00 0.00 0.00 0.00 61.98 60.08 1psu s VAL 76 Cb 0.04 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.34 1psu s VAL 76 CO -0.11 0.15 1.12 0.00 0.00 0.00 0.00 175.10 176.26 1psu s ALA 77 N -1.02 3.34 -0.12 5.51 0.00 -1.26 -0.16 121.76 128.05 1psu s ALA 77 Ca 0.14 0.78 0.16 0.00 0.00 0.00 0.00 51.96 53.04 1psu s ALA 77 Cb -0.10 -3.39 -0.24 0.00 0.00 0.00 0.00 23.12 19.40 1psu s ALA 77 CO 0.06 -0.30 0.18 -1.13 0.00 0.00 0.00 175.76 174.57 1psu n SER 78 N 3.29 0.84 -3.62 0.00 3.41 -0.34 -4.89 113.62 112.31 1psu n SER 78 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.55 1psu n SER 78 Cb 0.47 1.25 -0.05 0.00 -0.26 0.00 0.00 64.21 65.62 1psu n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1psu s ALA 79 N -2.72 -1.06 -0.22 7.33 0.00 -1.22 -5.00 121.76 118.87 1psu s ALA 79 Ca -0.08 0.18 -0.24 0.00 0.00 0.00 0.00 51.96 51.83 1psu s ALA 79 Cb 0.07 0.57 0.06 0.00 0.00 0.00 0.00 23.12 23.83 1psu s ALA 79 CO 0.71 -0.58 0.66 0.00 0.00 0.00 0.00 175.76 176.55 1psu s THR 81 N 0.16 2.16 -0.02 0.00 2.01 -0.37 -4.99 115.64 114.60 1psu s THR 81 Ca -0.01 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 60.93 1psu s THR 81 Cb -0.04 -1.76 0.01 0.00 0.01 0.00 0.00 72.50 70.72 1psu s THR 81 CO 0.02 0.58 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.86 1psu s ILE 82 N -0.62 0.43 -0.19 1.82 1.01 -1.26 -1.84 121.20 120.54 1psu s ILE 82 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 1psu s ILE 82 Cb -0.10 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 41.96 1psu s ILE 82 CO -0.01 0.16 -0.15 -1.81 0.00 0.00 0.00 174.94 173.13 1psu s ASP 83 N 0.37 3.54 -0.28 3.58 1.01 -0.32 -4.99 116.67 119.58 1psu s ASP 83 Ca -0.04 -0.55 -0.15 0.00 0.71 0.00 0.00 52.55 52.51 1psu s ASP 83 Cb -0.08 -1.57 -0.03 0.00 1.01 0.00 0.00 42.92 42.25 1psu s ASP 83 CO -0.00 0.00 0.38 -0.36 0.21 0.00 0.00 175.17 175.40 1psu s PHE 84 N 1.31 3.24 -0.24 4.23 0.40 -1.26 -1.65 117.98 124.01 1psu s PHE 84 Ca 0.04 0.34 -0.03 0.00 -0.60 0.00 0.00 56.93 56.68 1psu s PHE 84 Cb -0.14 -2.60 -0.14 0.00 0.51 0.00 0.00 43.02 40.65 1psu s PHE 84 CO -0.09 -0.27 -0.25 1.28 0.70 0.00 0.00 175.22 176.59 1psu n LEU 85 N 5.36 2.56 -3.98 -0.37 4.77 -0.05 -5.01 117.00 120.27 1psu n LEU 85 Ca -0.08 0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.82 1psu n LEU 85 Cb 0.50 -0.79 -0.11 0.00 -2.33 0.00 0.00 43.42 40.69 1psu n LEU 85 CO 0.38 0.76 -0.37 -0.13 -1.33 0.00 0.00 177.39 176.71 1psu s ARG 86 N -2.46 0.31 0.59 3.23 0.52 -0.92 -5.02 118.95 115.20 1psu s ARG 86 Ca -0.33 -0.56 -0.16 0.00 -0.52 0.00 0.00 55.73 54.16 1psu s ARG 86 Cb 0.10 0.03 -0.04 0.00 0.52 0.00 0.00 34.95 35.56 1psu s ARG 86 CO 0.50 -0.03 1.07 -2.14 0.02 0.00 0.00 175.30 174.72 1psu s PRO 87 N -1.31 3.31 -0.53 3.54 0.02 -1.26 -4.66 135.00 134.11 1psu s PRO 87 Ca -0.13 1.27 -0.11 0.00 0.02 0.00 0.00 61.00 62.04 1psu s PRO 87 Cb -0.09 -2.03 0.13 0.00 0.02 0.00 0.00 34.50 32.54 1psu s PRO 87 CO -0.01 -0.83 0.43 0.20 -0.33 0.00 0.00 177.00 176.47 1psu s GLY 88 N -2.61 2.14 0.68 0.52 0.00 -1.26 -4.98 107.32 101.80 1psu s GLY 88 Ca 0.65 -2.65 -0.11 0.00 0.00 0.00 0.00 44.72 42.61 1psu s GLY 88 CO 0.35 1.15 1.06 -1.36 0.00 0.00 0.00 173.10 174.30 1psu s PHE 89 N 1.24 3.38 0.47 1.90 0.40 -1.26 -0.17 117.98 123.94 1psu s PHE 89 Ca 0.07 1.21 -0.24 0.00 -0.60 0.00 0.00 56.93 57.36 1psu s PHE 89 Cb -0.25 -2.90 -0.08 0.00 0.51 0.00 0.00 43.02 40.29 1psu s PHE 89 CO -0.01 -1.04 1.30 0.00 0.70 0.00 0.00 175.22 176.17 1psu n ALA 90 N -2.96 1.41 0.00 5.36 0.00 -1.26 -1.87 120.51 121.19 1psu n ALA 90 Ca 0.07 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1psu n ALA 90 Cb 0.55 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1psu n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1psu n GLY 91 N 0.80 2.87 3.76 0.00 0.00 0.15 -4.98 105.19 107.78 1psu n GLY 91 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1psu n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1psu s ASP 92 N 0.02 5.59 -0.27 1.61 1.01 -0.78 -4.70 116.67 119.14 1psu s ASP 92 Ca 0.00 2.68 -0.06 0.00 0.71 0.00 0.00 52.55 55.88 1psu s ASP 92 Cb 0.00 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.30 1psu s ASP 92 CO 0.00 -1.35 0.04 -0.89 0.21 0.00 0.00 175.17 173.18 1psu s THR 93 N -1.34 3.75 -0.13 -1.27 2.01 -1.26 -0.78 115.64 116.62 1psu s THR 93 Ca 0.68 -0.66 -0.07 0.00 0.31 0.00 0.00 61.69 61.95 1psu s THR 93 Cb -0.38 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1psu s THR 93 CO 0.46 0.17 0.12 -0.76 -0.69 0.00 0.00 174.62 173.92 1psu s LEU 94 N 1.48 4.23 -0.14 4.42 1.43 -1.26 -2.19 118.68 126.65 1psu s LEU 94 Ca 0.03 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 1psu s LEU 94 Cb -0.16 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.02 1psu s LEU 94 CO 0.01 0.36 -0.17 -0.89 0.23 0.00 0.00 176.35 175.90 1psu s THR 95 N -0.76 2.61 -0.19 5.49 2.01 -0.17 -4.26 115.64 120.36 1psu s THR 95 Ca 0.13 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.31 1psu s THR 95 Cb -0.12 -2.08 -0.00 0.00 0.01 0.00 0.00 72.50 70.31 1psu s THR 95 CO 0.03 0.53 -0.09 0.00 -0.69 0.00 0.00 174.62 174.39 1psu s ALA 96 N 0.65 2.67 -0.21 7.40 0.00 0.37 -1.30 121.76 131.33 1psu s ALA 96 Ca -0.09 -1.12 -0.04 0.00 0.00 0.00 0.00 51.96 50.71 1psu s ALA 96 Cb -0.16 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 1psu s ALA 96 CO 0.02 -0.28 -0.04 0.99 0.00 0.00 0.00 175.76 176.45 1psu s THR 97 N 1.22 3.41 -0.09 0.00 2.01 0.05 -1.47 115.64 120.78 1psu s THR 97 Ca 0.02 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 1psu s THR 97 Cb -0.14 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 1psu s THR 97 CO -0.04 0.43 -0.04 0.00 -0.69 0.00 0.00 174.62 174.29 1psu s ALA 98 N 1.37 3.10 -0.04 7.40 0.00 -0.44 -1.31 121.76 131.84 1psu s ALA 98 Ca 0.04 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 1psu s ALA 98 Cb -0.14 -1.37 0.02 0.00 0.00 0.00 0.00 23.12 21.62 1psu s ALA 98 CO -0.02 0.53 0.10 -1.14 0.00 0.00 0.00 175.76 175.23 1psu s GLN 99 N -0.67 0.09 0.28 0.00 2.00 0.04 -1.91 119.66 119.49 1psu s GLN 99 Ca 0.10 0.21 -0.29 0.00 -2.00 0.00 0.00 55.36 53.38 1psu s GLN 99 Cb -0.12 -0.06 -0.10 0.00 0.80 0.00 0.00 33.01 33.54 1psu s GLN 99 CO 0.02 -0.08 1.15 0.08 -0.50 0.00 0.00 175.29 175.96 1psu s VAL 100 N 0.53 3.33 -0.03 1.34 1.01 -0.37 -0.72 120.40 125.49 1psu s VAL 100 Ca -0.04 1.32 0.05 0.00 0.00 0.00 0.00 61.98 63.32 1psu s VAL 100 Cb -0.06 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 1psu s VAL 100 CO -0.02 0.31 0.08 0.54 0.00 0.00 0.00 175.10 176.01 1psu n ARG 101 N 1.22 1.34 -3.65 2.72 5.12 0.13 -4.88 116.66 118.67 1psu n ARG 101 Ca -0.00 -0.03 -0.13 0.00 -1.93 0.00 0.00 57.85 55.76 1psu n ARG 101 Cb 0.44 -1.14 -0.07 0.00 -1.16 0.00 0.00 32.46 30.53 1psu n ARG 101 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1psu s HIS 102 N -2.29 -0.79 -0.26 -1.55 2.46 -0.93 -4.95 115.29 106.98 1psu s HIS 102 Ca -0.02 1.85 -0.02 0.00 0.47 0.00 0.00 55.06 57.34 1psu s HIS 102 Cb 0.03 0.32 0.08 0.00 -0.13 0.00 0.00 32.58 32.88 1psu s HIS 102 CO 0.23 -0.39 0.07 -1.14 -2.47 0.00 0.00 174.74 171.05 1psu s GLN 103 N 0.60 0.66 0.00 2.88 2.00 -1.26 -0.79 119.66 123.74 1psu s GLN 103 Ca -0.02 -0.75 0.00 0.00 -2.00 0.00 0.00 55.36 52.59 1psu s GLN 103 Cb -0.05 -1.96 0.00 0.00 0.80 0.00 0.00 33.01 31.80 1psu s GLN 103 CO -0.03 -0.84 0.00 0.41 -0.50 0.00 0.00 175.29 174.33 1psu n GLY 104 N 4.97 1.09 0.15 2.59 0.00 0.22 -4.99 105.19 109.21 1psu n GLY 104 Ca -0.06 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 1psu n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1psu h LYS 105 N 0.00 -0.27 0.00 1.61 1.57 -2.00 -3.39 116.57 114.09 1psu h LYS 105 Ca 0.00 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1psu h LYS 105 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1psu h LYS 105 CO 0.00 -0.02 -1.36 1.04 -0.57 0.00 0.00 179.45 178.54 1psu n GLN 106 N -5.12 1.44 -4.57 3.15 6.02 -1.26 -4.94 117.38 112.11 1psu n GLN 106 Ca -0.09 -0.04 -0.26 0.00 -0.01 0.00 0.00 57.00 56.60 1psu n GLN 106 Cb 0.21 -1.16 -0.11 0.00 1.02 0.00 0.00 30.24 30.20 1psu n GLN 106 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1psu s THR 107 N -2.33 1.64 0.34 5.09 -4.23 -1.26 0.15 115.64 115.05 1psu s THR 107 Ca -0.03 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.36 1psu s THR 107 Cb 0.03 -2.86 0.03 0.00 1.34 0.00 0.00 72.50 71.04 1psu s THR 107 CO 0.27 0.00 0.66 -0.83 -0.54 0.00 0.00 174.62 174.18 1psu s GLY 108 N -3.64 0.65 -0.04 3.99 0.00 -0.97 0.71 107.32 108.01 1psu s GLY 108 Ca 0.33 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1psu s GLY 108 CO 0.16 -0.51 -0.00 0.14 0.00 0.00 0.00 173.10 172.89 1psu s VAL 109 N -2.91 0.25 0.02 1.40 1.01 0.03 -0.49 120.40 119.71 1psu s VAL 109 Ca 0.20 0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.35 1psu s VAL 109 Cb -0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 1psu s VAL 109 CO 0.13 0.18 -0.26 -0.31 0.00 0.00 0.00 175.10 174.84 1psu s TYR 110 N 1.27 2.30 -0.09 5.22 1.51 -0.38 0.22 117.35 127.40 1psu s TYR 110 Ca -0.06 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.57 1psu s TYR 110 Cb -0.13 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 1psu s TYR 110 CO -0.02 0.06 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.93 1psu s ASP 111 N -1.00 4.84 -0.03 2.29 1.01 0.10 -0.92 116.67 122.96 1psu s ASP 111 Ca 0.11 0.00 0.01 0.00 0.71 0.00 0.00 52.55 53.38 1psu s ASP 111 Cb -0.10 -1.37 0.02 0.00 1.01 0.00 0.00 42.92 42.49 1psu s ASP 111 CO 0.01 0.33 -0.01 -0.63 0.21 0.00 0.00 175.17 175.08 1psu s ILE 112 N -0.61 0.28 -0.05 0.77 1.01 0.27 -0.78 121.20 122.09 1psu s ILE 112 Ca 0.09 0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.82 1psu s ILE 112 Cb -0.12 -0.35 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 1psu s ILE 112 CO 0.02 0.17 -0.22 -0.70 0.00 0.00 0.00 174.94 174.20 1psu s GLU 113 N 0.95 2.20 -0.15 2.79 2.12 -0.43 0.74 118.70 126.92 1psu s GLU 113 Ca -0.11 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.43 1psu s GLU 113 Cb -0.14 -1.91 -0.00 0.00 0.26 0.00 0.00 34.13 32.34 1psu s GLU 113 CO -0.01 0.36 -0.15 0.42 -0.54 0.00 0.00 175.26 175.34 1psu s ILE 114 N -0.16 2.75 0.25 -3.70 1.01 0.03 -0.77 121.20 120.61 1psu s ILE 114 Ca -0.02 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 59.97 1psu s ILE 114 Cb -0.12 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 1psu s ILE 114 CO 0.02 0.51 -0.12 0.68 0.00 0.00 0.00 174.94 176.04 1psu s VAL 115 N 0.74 1.85 0.44 2.92 -7.23 -0.42 0.71 120.40 119.41 1psu s VAL 115 Ca -0.06 -2.21 0.06 0.00 -1.81 0.00 0.00 61.98 57.96 1psu s VAL 115 Cb -0.15 -2.27 0.08 0.00 0.56 0.00 0.00 36.38 34.59 1psu s VAL 115 CO 0.01 -0.43 0.61 -0.46 -0.31 0.00 0.00 175.10 174.52 1psu n ASN 116 N -0.52 1.47 0.29 4.85 0.23 -0.18 -1.00 115.26 120.40 1psu n ASN 116 Ca -0.06 -2.09 0.18 0.00 -0.53 0.00 0.00 54.58 52.08 1psu n ASN 116 Cb 0.62 -0.33 0.98 0.00 -2.08 0.00 0.00 39.78 38.96 1psu n ASN 116 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1psu h GLN 117 N 0.00 0.00 -0.22 -3.83 -0.00 -1.78 0.23 115.11 109.51 1psu h GLN 117 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.45 1psu h GLN 117 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.39 1psu h GLN 117 CO 0.28 0.00 0.00 1.04 -0.00 0.00 0.00 178.83 180.15 1psu n GLN 118 N -3.58 1.54 -1.42 0.06 6.02 -1.26 -4.88 117.38 113.85 1psu n GLN 118 Ca -0.02 -0.84 -0.15 0.00 -0.01 0.00 0.00 57.00 55.99 1psu n GLN 118 Cb 0.14 -1.22 -0.06 0.00 1.02 0.00 0.00 30.24 30.12 1psu n GLN 118 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1psu n GLN 119 N 0.15 -1.25 -3.54 -1.09 1.13 0.81 -4.98 117.38 108.62 1psu n GLN 119 Ca 0.09 1.00 -0.34 0.00 -1.94 0.00 0.00 57.00 55.82 1psu n GLN 119 Cb 0.21 -5.22 -0.05 0.00 0.11 0.00 0.00 30.24 25.28 1psu n GLN 119 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1psu s LYS 120 N -3.19 3.77 -0.03 -1.09 1.02 -1.26 -4.80 119.74 114.17 1psu s LYS 120 Ca 0.00 0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.88 1psu s LYS 120 Cb 0.00 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 1psu s LYS 120 CO 0.00 0.50 1.28 0.99 -0.92 0.00 0.00 175.35 177.21 1psu s THR 121 N -1.50 4.02 -0.22 2.17 2.01 -1.26 -1.01 115.64 119.84 1psu s THR 121 Ca 0.37 1.38 -0.14 0.00 0.31 0.00 0.00 61.69 63.60 1psu s THR 121 Cb -0.13 -3.88 -0.18 0.00 0.01 0.00 0.00 72.50 68.31 1psu s THR 121 CO 0.20 -0.00 0.00 0.52 -0.69 0.00 0.00 174.62 174.65 1psu n VAL 122 N 4.63 1.57 -3.61 3.82 0.31 0.22 -3.86 118.33 121.41 1psu n VAL 122 Ca 0.12 -0.31 -0.15 0.00 -0.01 0.00 0.00 64.34 63.99 1psu n VAL 122 Cb 0.45 -1.87 -0.06 0.00 -0.91 0.00 0.00 33.84 31.45 1psu n VAL 122 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1psu s ALA 123 N -2.46 -1.29 -0.10 3.52 0.00 -0.98 -0.87 121.76 119.57 1psu s ALA 123 Ca -0.32 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.37 1psu s ALA 123 Cb 0.09 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.44 1psu s ALA 123 CO 0.59 -0.42 -0.22 -0.51 0.00 0.00 0.00 175.76 175.20 1psu s LEU 124 N -1.65 2.02 0.11 0.00 1.43 -0.66 -0.79 118.68 119.15 1psu s LEU 124 Ca -0.08 -0.52 0.10 0.00 -1.03 0.00 0.00 54.13 52.59 1psu s LEU 124 Cb -0.01 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1psu s LEU 124 CO 0.02 0.13 -0.26 -0.36 0.23 0.00 0.00 176.35 176.12 1psu s PHE 125 N 0.43 2.23 -0.14 0.29 0.40 0.23 -1.18 117.98 120.24 1psu s PHE 125 Ca -0.17 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.73 1psu s PHE 125 Cb -0.17 -1.24 0.07 0.00 0.51 0.00 0.00 43.02 42.19 1psu s PHE 125 CO 0.07 0.28 0.17 0.50 0.70 0.00 0.00 175.22 176.94 1psu s ARG 126 N -1.86 0.10 0.17 0.44 3.52 -0.77 -0.57 118.95 119.99 1psu s ARG 126 Ca 0.12 0.32 0.10 0.00 -0.13 0.00 0.00 55.73 56.14 1psu s ARG 126 Cb -0.10 -0.89 -0.04 0.00 -1.56 0.00 0.00 34.95 32.36 1psu s ARG 126 CO 0.05 -0.50 -0.21 0.20 -0.81 0.00 0.00 175.30 174.02 1psu s GLY 127 N 2.28 1.55 -0.14 8.12 0.00 -0.10 -1.23 107.32 117.79 1psu s GLY 127 Ca 0.04 -1.55 -0.07 0.00 0.00 0.00 0.00 44.72 43.15 1psu s GLY 127 CO -0.09 -1.58 0.10 1.25 0.00 0.00 0.00 173.10 172.78 1psu s LYS 128 N -2.66 3.63 0.13 2.90 2.20 -0.42 -1.25 119.74 124.28 1psu s LYS 128 Ca 0.18 -0.24 0.05 0.00 -0.36 0.00 0.00 55.97 55.60 1psu s LYS 128 Cb -0.07 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 1psu s LYS 128 CO 0.08 0.57 0.04 -1.54 -0.36 0.00 0.00 175.35 174.14 1psu s SER 129 N -0.44 5.12 -0.17 1.43 1.04 0.36 -1.20 113.70 119.85 1psu s SER 129 Ca 0.11 -0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.31 1psu s SER 129 Cb -0.12 -1.23 -0.01 0.00 0.10 0.00 0.00 66.02 64.76 1psu s SER 129 CO 0.02 0.13 -0.09 -1.00 0.98 0.00 0.00 173.24 173.27 1psu s HIS 130 N -1.54 2.89 0.00 5.02 3.76 0.78 -2.30 115.29 123.90 1psu s HIS 130 Ca 0.28 -0.82 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 1psu s HIS 130 Cb -0.11 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.61 1psu s HIS 130 CO 0.20 -0.39 0.00 0.54 -0.85 0.00 0.00 174.74 174.24